| General Property |
| Molceule ID (DB) | EGIN0003285 |
| Inhibitor Class | Indolone |
| Molecule Name in Refrence Article | 12h compound |
| IUPAC Name | 5-{[(3Z)-5-fluoro-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}-2,4-dimethyl-N-[2-(morpholin-4-yl)ethyl]-1H-pyrrole-3-carboxamide |
| Formula | C22H25FN4O3 |
| Mass | 412.4573 |
| Exact Mass | 412.1910689 |
| Composition | C (64.06%), H (6.11%), F (4.61%), N (13.58%), O (11.64%) |
| Atom Count | 55 |
| PI | 8.77 |
| Smiles | c1(c([nH]c(c1C)/C=C/1C(=O)Nc2c1cc(cc2)F)C)C(=O)NCCN1CCOCC1 |
| InChI | 1S/C22H25FN4O3/c1-13-19(12-17-16-11-15(23)3-4-18(16)26-21(17)28)25-14(2)20(13)22(29)24-5-6-27-7-9-30
-10-8-27/h3-4,11-12,25H,5-10H2,1-2H3,(H,24,29)(H,26,28)/b17-12- |
| InChIKey | HGAQQKPBNGSIMU-ATVHPVEESA-N |
| 2D Structure |  | Structure Backbone |  |
|
| View Structure in Jmol | Click to view 3 d structure Download Mol File |
| Drug Like Property | Druglikeliness |
| Symmetry & Geometry | Symmetry And Geometrical Information |
| Activity & Binding | Activity against isoform and covalant binding information |
| Topological Properties | Descriptors |
| Reference | 12646019 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | FGFR1 | VEGFR2 | PDGFR beta | ALL |
| Pub Chem Link |
5329108
|
| Drug Bank Link | - |
| ChemSpider Link | 4486270 |
| ChEMBL Link | CHEMBL13354 |
